SCHEMBL6000759

SCHEMBL6000759

NS(=O)(=O)c1ccc(/C=C/CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.49
TCF4 P15884 1/20 0.48
CTNNB1 P35222 1/20 0.48
ALDH1A1 P00352 4/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2C P18825 2/20 0.43
SLC6A4 P31645 2/20 0.43
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
TSHR P16473 1/20 0.43
ADRA2B P18089 1/20 0.43
CHRM3 P20309 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6000763 1.00 SETD7 (0.49) SETD7TCF4CTNNB1ALDH1A1ADRA2A
Hydrochloric Acid SCHEMBL7212429 0.99 SETD7 (0.48) SETD7TCF4CTNNB1ALDH1A1ADRA2A
Hydrochloric Acid SCHEMBL7218787 0.99 SETD7 (0.48) SETD7TCF4CTNNB1ALDH1A1ADRA2A
SCHEMBL7306999 0.88 TCF4 (0.48) SETD7TCF4CTNNB1ALDH1A1MAPK1
SCHEMBL7306992 0.88 TCF4 (0.48) SETD7TCF4CTNNB1ALDH1A1MAPK1
SCHEMBL7306397 0.86 TCF4 (0.47) SETD7TCF4CTNNB1ALDH1A1ADRA2A
SCHEMBL7310123 0.86 TCF4 (0.47) SETD7TCF4CTNNB1ALDH1A1ADRA2A
SCHEMBL7433819 0.85 SETD7 (0.54) SETD7ALDH1A1ADRA2AADRA2CSLC6A4
SCHEMBL7436166 0.85 SETD7 (0.54) SETD7ALDH1A1ADRA2AADRA2CSLC6A4
SCHEMBL7306260 0.85 SETD7 (0.59) SETD7ALDH1A1ADRA2AADRA2CSLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250681-A Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1993-10-05 US claimed
JP-6065202-A None JP disclosed
JP-4261154-A None JP disclosed
US-20060140991-A1 Pharmaceutical preparations having an improved solubility AJINOMOTO CO. INC (JP) 2006-06-29 US disclosed
EP-1661556-A1 MEDICINAL PREPARATION HAVING IMPROVED DISSOLUTION PROPERTIES Ajinomoto Co., Inc. (JP) 2006-05-31 EP disclosed
EP-0530016-B1 Piperidine derivative and pharmaceutical composition containing it AJINOMOTO KK (JP) 1995-08-02 EP disclosed
JP-H0665202-A PIPERIDINE DERIVATIVE AND HYPOTENSOR CONTAINING SAME AJINOMOTO CO INC 1994-03-08 JP disclosed
EP-0530016-A2 Piperidine derivative and pharmaceutical composition containing it Ajinomoto Co., Inc. (JP) 1993-03-03 EP disclosed
JP-H04261154-A PIPERIDINE DERIVATIVE AND ANTIHYPERTENSIVE AGENT CONTAINING THE SAME AJINOMOTO CO INC 1992-09-17 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060140991-A1 Pharmaceutical preparations having an improved solubility SI, LSS, PDE8B SETD7 627/4885TCF4 3949/4885CTNNB1 4781/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.